methyl 1-(4-chlorophenyl)-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium-8-carbodithioate iodide

Systemtic Name: methyl 1-(4-chlorophenyl)-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium-8-carbodithioate iodide Openeye Name: methyl 1-(4-chlorophenyl)-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium-8-carbodithioate iodide CAS Name: 1-(4-chlorophenyl)-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium-8-carbodithioic acid methyl ester iodide IUPAC Name: methyl 1-(4-chlorophenyl)-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium-8-carbodithioate iodide Traditional Name: 1-(4-chlorophenyl)-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium-8-carbodithioic acid methyl ester iodide Formula: C29H25ClINS2 MolecularWeight: 614.00297

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)C1CCCC2=C1[N+](=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl.[I-]

Isomeric SMILES

CSC(=S)C1CCCC2=C1[N+](=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl.[I-]

InChI

InChI=1S/C29H25ClNS2.HI/c1-33-29(32)25-14-8-13-24-26(20-9-4-2-5-10-20)19-27(21-11-6-3-7-12-21)31(28(24)25)23-17-15-22(30)16-18-23;/h2-7,9-12,15-19,25H,8,13-14H2,1H3;1H/q+1;/p-1